hannesstark Goto Github PK

3dinfomax

Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

attention-to-binding-sites

Unsupervised method for binding site prediction using attention patterns of protein language models.

audioimprovement

Removing background noise from clips of speech and improving audio quality (PyTorch)

bachelorthesis

TensorFlow code and LaTex for Bachelor Thesis: Understanding Variational Autoencoders' Latent Representations of Remote Sensing Images :earth_africa:

bayesian-deep-learning

bio_embeddings

Get protein embeddings from protein sequences

dependencynoderanking

R code for NetworkCentralityCalculator. A web-tool with 5 different centrality measures. LaTex and pdf for documentation and explanation of different measures with a focus on "dependency centrality".

dig

A library for graph deep learning research

dirichlet-flow-matching

e3nn

A modular framework for neural networks with Euclidean symmetry

ec-number-prediction

Using similarity in embedding space for predicting EC numbers

equibind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

flowsite

Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"

geomol

gnn-primer

gnn-reinforcement-learning

Representing robots as graphs for reinforcement-learning in PyBullet locomotion environments.

hannes-stark

Code for my website built with Angular and running on GitHub Pages.

hannesstark

images

logag

molecule-electra

Pre-train and evaluate Graph Neural Networks or Transformers on molecules with the ELECTRA method.

ogb

Benchmark datasets, data loaders, and evaluators for graph machine learning

protein-localization

Using Transformer protein embeddings with a linear attention mechanism to make SOTA de-novo predictions for the subcellular location of proteins :microscope:

san

se3-transformer-public

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

smpl-nerf

Embed human pose information into neural radiance fields (NeRF) to render images of humans in desired poses :running: from novel views

test

testtt_anonymous